<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><div>The number of k points is determined by the symmetry and the presence of a finite dipole reduces the symmetry of your cell.<br><br>stefano <div>(sent from my phone)</div></div><div><br>On 19 Nov 2014, at 09:59, Pooja Dhorge <<a href="mailto:dhorgepooja@gmail.com">dhorgepooja@gmail.com</a>> wrote:<br><br></div><blockquote type="cite"><div><div dir="ltr"><font color="black" face="Helvetica"><span style="font-size:10pt" dir="ltr"><font face="Times New Roman"><span style="font-size:16px"><font face="Tahoma"><span style="font-size:10pt">Dear all,<br>
<br>
We are doing surface calculations using dipole correction.<br>
The system under consideration is Cu(111) plane and we have considered 4 atomic layers. I am attaching the input files with this mail. <br>
<br>
I have noticed that, for 3x3x1 unshifted k-point mesh, I get 3 k-points with no dipole correction and 5 k-points with dipole correction. <br>
<br>
I am unable to understand how dipole flag changes the number of k-points. Could you please shade some light on this? <br>
<br>
Thanks,<br>
Pooja<br>
<br>
Project Assistant,<br>
Physical and Materials Chemistry Division,<br>
CSIR-National Chemical Laboratory,<br>
Pune, India.<br>
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</div></blockquote><blockquote type="cite"><div><with-dipole.in></div></blockquote><blockquote type="cite"><div><without-dipole.in></div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>Pw_forum mailing list</span><br><span><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a></span><br><span><a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></span></div></blockquote></body></html>